C216H138 — CID 160608667
9,10-dinaphthalen-1-ylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;21-(10-phenylanthracen-9-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene (PubChem CID 160608667) has the molecular formula C216H138 and a molecular weight of 2733.48 g/mol. Its IUPAC name is 9,10-dinaphthalen-1-ylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;21-(10-phenylanthracen-9-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene.
| Compound Name | 9,10-dinaphthalen-1-ylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;21-(10-phenylanthracen-9-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene |
|---|---|
| PubChem CID | 160608667 |
| Molecular Formula | C216H138 |
| Molecular Weight | 2733.48 g/mol |
| Exact Mass | 2731.08 |
| IUPAC Name | 9,10-dinaphthalen-1-ylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;21-(10-phenylanthracen-9-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene |
| SMILES | c1ccc(-c2c3ccccc3c(-c3cc4c5ccccc5c5ccccc5c4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc4cc5ccccc5cc4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc4ccc5ccccc5c4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cccc2c1 |
| InChI | InChI=1S/C42H26.2C38H24.2C34H22.C30H20/c1-2-14-27(15-3-1)40-34-22-10-12-24-36(34)42(37-25-13-11-23-35(37)40)39-26-38-30-18-5-4-16-28(30)29-17-6-8-20-32(29)41(38)33-21-9-7-19-31(33)39;1-2-13-26(14-3-1)36-31-18-8-10-20-33(31)38(34-21-11-9-19-32(34)36)35-24-27-23-22-25-12-4-5-15-28(25)37(27)30-17-7-6-16-29(30)35;1-2-12-25(13-3-1)37-31-18-8-10-20-33(31)38(34-21-11-9-19-32(34)37)36-24-28-22-26-14-4-5-15-27(26)23-35(28)29-16-6-7-17-30(29)36;1-3-15-25-23(11-1)13-9-21-27(25)33-29-17-5-7-19-31(29)34(32-20-8-6-18-30(32)33)28-22-10-14-24-12-2-4-16-26(24)28;1-2-12-23(13-3-1)33-28-18-8-10-20-30(28)34(31-21-11-9-19-29(31)33)32-22-24-14-4-5-15-25(24)26-16-6-7-17-27(26)32;1-2-11-22(12-3-1)29-25-14-6-8-16-27(25)30(28-17-9-7-15-26(28)29)24-19-18-21-10-4-5-13-23(21)20-24/h1-26H;2*1-24H;2*1-22H;1-20H |
| InChIKey | RFFHFJPHWWUNBQ-UHFFFAOYSA-N |
| XLogP | 61.26 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 12 |
| Heavy Atoms | 216 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2733.48 |
| LogP ≤ 5 | 61.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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